Vitas-M small molecule compound
7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-nitrobenzoate
Catalog ID
STK910584
SMILES CCOc1ccc(cc1)c1cc(OC(=O)c2ccccc2[N+](=O)[O-])cc2c1oc(=O)s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H15NO7S MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15NO7S/c1-2-28-14-9-7-13(8-10-14)17-11-15(12-19-20(17)30-22(25)31-19)29-21(24)16-5-3-4-6-18(16)23(26)27/h3-12H,2H2,1H3InChIKey
MOXQQNQBJSTTDP-UHFFFAOYSA-NSynonyms
(7(4ethoxyphenyl)2oxo13benzoxathiol5yl)2nitrobenzoate
7(4ethoxyphenyl)2oxo13benzoxathiol5yl2nitrobenzoate
CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4(N+)(=O)(O)
CCOc1ccc(cc1)c1cc(OC(=O)c2ccccc2(N+)(=O)(O))cc2c1oc(=O)s2
InChI=1SC22H15NO7Sc1228149713(81014)171115(121920(17)3022(25)3119)2921(24)16534618(16)23(26)27h312H2H21H3
MFCD07425539
ZINC000008869332
ZINC08869332
ZINC8869332
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